[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]oxy-3-methoxyphenyl]methanol

C14H18N4O3 — CID 107745130

IUPAC[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]oxy-3-methoxyphenyl]methanol
SMILESCCNc1cc(Oc2ccc(CO)cc2OC)nc(N)n1
InChIInChI=1S/C14H18N4O3/c1-3-16-12-7-13(18-14(15)17-12)21-10-5-4-9(8-19)6-11(10)20-2/h4-7,19H,3,8H2,1-2H3,(H3,15,16,17,18)
InChIKeyDDEKWCPDSFXFIY-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.78
Rot. Bonds6

About [4-[2-amino-6-(ethylamino)pyrimidin-4-yl]oxy-3-methoxyphenyl]methanol

[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]oxy-3-methoxyphenyl]methanol (PubChem CID 107745130) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is [4-[2-amino-6-(ethylamino)pyrimidin-4-yl]oxy-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]oxy-3-methoxyphenyl]methanol
PubChem CID107745130
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]oxy-3-methoxyphenyl]methanol
SMILESCCNc1cc(Oc2ccc(CO)cc2OC)nc(N)n1
InChIInChI=1S/C14H18N4O3/c1-3-16-12-7-13(18-14(15)17-12)21-10-5-4-9(8-19)6-11(10)20-2/h4-7,19H,3,8H2,1-2H3,(H3,15,16,17,18)
InChIKeyDDEKWCPDSFXFIY-UHFFFAOYSA-N
XLogP1.78
TPSA102.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[[6-(ethylamino)-2-pyridinyl]oxy]-3-methoxyphenyl]methanol
CID 107745044
4-N-ethyl-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 103176372
6-(4-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 115493746
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129
[3-methoxy-4-[6-(propylamino)pyrazin-2-yl]oxyphenyl]methanol
CID 107745067
[4-(6-chloro-2-propylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107742985
[4-[[6-(ethylamino)-3-pyridinyl]methoxy]-3-methoxyphenyl]methanol
CID 107744742
4-N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 80877500
6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80867343
[4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107745155
4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 80866048
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-6-methylpyridine-4-carboxamide
CID 107743933

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-6-(ethylamino)pyrimidin-4-yl]oxy-3-methoxyphenyl]methanol?
The IUPAC name of [4-[2-amino-6-(ethylamino)pyrimidin-4-yl]oxy-3-methoxyphenyl]methanol (CID 107745130) is [4-[2-amino-6-(ethylamino)pyrimidin-4-yl]oxy-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-[2-amino-6-(ethylamino)pyrimidin-4-yl]oxy-3-methoxyphenyl]methanol?
The canonical SMILES for [4-[2-amino-6-(ethylamino)pyrimidin-4-yl]oxy-3-methoxyphenyl]methanol is CCNc1cc(Oc2ccc(CO)cc2OC)nc(N)n1.
What is the InChIKey of [4-[2-amino-6-(ethylamino)pyrimidin-4-yl]oxy-3-methoxyphenyl]methanol?
The InChIKey is DDEKWCPDSFXFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-3-16-12-7-13(18-14(15)17-12)21-10-5-4-9(8-19)6-11(10)20-2/h4-7,19H,3,8H2,1-2H3,(H3,15,16,17,18).
What are the key properties of [4-[2-amino-6-(ethylamino)pyrimidin-4-yl]oxy-3-methoxyphenyl]methanol?
[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]oxy-3-methoxyphenyl]methanol has a molecular weight of 290.32 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-6-(ethylamino)pyrimidin-4-yl]oxy-3-methoxyphenyl]methanol is sourced from PubChem (CID 107745130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).